(2-amino-2-oxoethyl) 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate

C16H15ClN2O5S — CID 2376707

IUPAC(2-amino-2-oxoethyl) 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate
SMILESCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC(N)=O)ccc1Cl
InChIInChI=1S/C16H15ClN2O5S/c1-19(12-5-3-2-4-6-12)25(22,23)14-9-11(7-8-13(14)17)16(21)24-10-15(18)20/h2-9H,10H2,1H3,(H2,18,20)
InChIKeyCDXWNEJWRPHCHU-UHFFFAOYSA-N
MW382.83 g/mol
LogP1.81
Rot. Bonds6

About (2-amino-2-oxoethyl) 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate

(2-amino-2-oxoethyl) 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate (PubChem CID 2376707) has the molecular formula C16H15ClN2O5S and a molecular weight of 382.83 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate
PubChem CID2376707
Molecular FormulaC16H15ClN2O5S
Molecular Weight382.83 g/mol
Exact Mass382.04
IUPAC Name(2-amino-2-oxoethyl) 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate
SMILESCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC(N)=O)ccc1Cl
InChIInChI=1S/C16H15ClN2O5S/c1-19(12-5-3-2-4-6-12)25(22,23)14-9-11(7-8-13(14)17)16(21)24-10-15(18)20/h2-9H,10H2,1H3,(H2,18,20)
InChIKeyCDXWNEJWRPHCHU-UHFFFAOYSA-N
XLogP1.81
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(Cyclopropylamino)-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate
CID 2097465
Tert-butyl 4-[(4-chloro-3-sulfamoylbenzoyl)amino]benzoate
CID 162715155
[2-(Dimethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2083980
(2-Anilino-2-oxoethyl) 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate
CID 2122384
[2-Oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-(methylsulfamoyl)benzoate
CID 2129018
[2-(2,6-Difluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 2338052
[2-(methylamino)-2-oxoethyl] 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2365514
[2-Oxo-2-(prop-2-enylamino)ethyl] 3-[benzyl(phenyl)sulfamoyl]-4-chlorobenzoate
CID 2395779
[2-(5-Chloro-2-cyanoanilino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2432862
[2-(Methylamino)-2-oxoethyl] 3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 2434868
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 2475985
[2-(2-Fluorophenyl)-2-oxoethyl] 4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoate
CID 2496877

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of (2-amino-2-oxoethyl) 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate (CID 2376707) is (2-amino-2-oxoethyl) 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate is CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC(N)=O)ccc1Cl.
What is the InChIKey of (2-amino-2-oxoethyl) 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate?
The InChIKey is CDXWNEJWRPHCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5S/c1-19(12-5-3-2-4-6-12)25(22,23)14-9-11(7-8-13(14)17)16(21)24-10-15(18)20/h2-9H,10H2,1H3,(H2,18,20).
What are the key properties of (2-amino-2-oxoethyl) 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate?
(2-amino-2-oxoethyl) 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate has a molecular weight of 382.83 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2376707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).